Type:
UnknownAlogP:
3.44Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
UnknownAlogP:
4.02Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
UnknownAlogP:
2.37Polar Surface Area:
51.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.44DETAILS
Type:
UnknownAlogP:
6.12Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
UnknownAlogP:
2.78Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.50DETAILS-
Type:
UnknownAlogP:
2.69Polar Surface Area:
68.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
3.40Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
224.70HBA:
12HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
4.67Polar Surface Area:
94.32HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-1.25Polar Surface Area:
185.61HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
96.97HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
92.04HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA3121616
Name:
5,7-Di-O-benzoyl chrysinCas Number:
110865-06-0Mol. Formula:
C29H18O6M.W.:
462.46Type:
Small moleculeAlogP:
5.90Polar Surface Area:
82.81HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
92.83HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
5.03Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
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